3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid

C13H22N2O3 — CID 79383810

IUPAC3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2CCNC2C)C1
InChIInChI=1S/C13H22N2O3/c1-3-13(12(17)18)5-7-15(8-13)11(16)10-4-6-14-9(10)2/h9-10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyLIYXQUUHGKPZFY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.70
Rot. Bonds3

About 3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 79383810) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID79383810
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2CCNC2C)C1
InChIInChI=1S/C13H22N2O3/c1-3-13(12(17)18)5-7-15(8-13)11(16)10-4-6-14-9(10)2/h9-10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyLIYXQUUHGKPZFY-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-(2-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 79384911
3-ethyl-1-(2-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 106740017
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64824663
(3-ethyl-3-hydroxyazetidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 107219562
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 81103357
1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66236692
3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 107068165
3-ethyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145224
3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679
N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 79389325
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 79383810) is 3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C2CCNC2C)C1.
What is the InChIKey of 3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LIYXQUUHGKPZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-13(12(17)18)5-7-15(8-13)11(16)10-4-6-14-9(10)2/h9-10,14H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).